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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > 2-[(1s,3s,4ar,9as)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[(2-fluorophenyl)methyl]acetamide

Preferred term

2-[(1s,3s,4ar,9as)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1h-pyrano[3,4-b]benzofuran-3-yl]-n-[(2-fluorophenyl)methyl]acetamide  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C29H30FN3O6

inchi

  • InChI=1S/C29H30FN3O6/c1-37-20-9-6-18(7-10-20)32-29(36)33-19-8-11-25-22(12-19)23-13-21(38-26(16-34)28(23)39-25)14-27(35)31-15-17-4-2-3-5-24(17)30/h2-12,21,23,26,28,34H,13-16H2,1H3,(H,31,35)(H2,32,33,36)/t21-,23+,26-,28-/m0/s1

inchikey

  • CTJBWDZBZUSCES-UKEKDYKDSA-N

mass

  • 535.565

monoisotopicmass

  • 535.21186

smiles

  • COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@H](O[C@H]4CO)CC(=O)NCC5=CC=CC=C5F

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:122951

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